ethyl 3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate

Systemtic Name: ethyl 3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate Openeye Name: ethyl 3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate CAS Name: 3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoate Traditional Name: 3-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC4=C(C(=CC=C4)C)NC3=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC4=C(C(=CC=C4)C)NC3=O

InChI

InChI=1S/C28H28N2O5S/c1-3-35-28(32)23-13-8-14-25(18-23)36(33,34)30(16-15-21-10-5-4-6-11-21)19-24-17-22-12-7-9-20(2)26(22)29-27(24)31/h4-14,17-18H,3,15-16,19H2,1-2H3,(H,29,31)